2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H25N5 — CID 10756591

IUPAC2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CC)c1nc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H25N5/c1-5-7-12-22(6-2)17-19-14(4)18-16(21-17)20-15-10-8-13(3)9-11-15/h8-11H,5-7,12H2,1-4H3,(H,18,19,20,21)
InChIKeyKLXDGLHDNBVFNR-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.86
Rot. Bonds7

About 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10756591) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10756591
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CC)c1nc(C)nc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C17H25N5/c1-5-7-12-22(6-2)17-19-14(4)18-16(21-17)20-15-10-8-13(3)9-11-15/h8-11H,5-7,12H2,1-4H3,(H,18,19,20,21)
InChIKeyKLXDGLHDNBVFNR-UHFFFAOYSA-N
XLogP3.86
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 10756591) is 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is CCCCN(CC)c1nc(C)nc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KLXDGLHDNBVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-5-7-12-22(6-2)17-19-14(4)18-16(21-17)20-15-10-8-13(3)9-11-15/h8-11H,5-7,12H2,1-4H3,(H,18,19,20,21).
What are the key properties of 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10756591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).